N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 103777042

IUPACN-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C14H24F3NO/c1-10(11-5-7-19-8-6-11)18-13-4-2-3-12(9-13)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyIJBWIJOVSPINKY-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 103777042) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID103777042
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C14H24F3NO/c1-10(11-5-7-19-8-6-11)18-13-4-2-3-12(9-13)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyIJBWIJOVSPINKY-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 103777042) is N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCC(C(F)(F)F)C1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IJBWIJOVSPINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(11-5-7-19-8-6-11)18-13-4-2-3-12(9-13)14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 103777042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).